![Methyl 4-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-4-oxobut-2-enoate structure](/static/products/8154/81542-43-0.webp)
Methyl 4-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-4-oxobut-2-enoate
TL;DR: Methyl 4-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-4-oxobut-2-enoate (CAS 81542-43-0) is a chemical compound with molecular formula C8H9N3O3S and molecular weight 227.03647 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 4-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-4-oxobut-2-enoate
Also Known As: 4-((5-Methyl-1,3,4-thiadiazol-2-yl)amino)-4-oxo-2-butenoic acid methyl ester, methyl 4-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-4-oxobut-2-enoate, 2-BUTENOIC ACID, 4-((5-METHYL-1,3,4-THIADIAZOL-2-YL)AMINO)-4-OXO-, METHYL ESTER
Technical Specifications
| Molecular Formula | C8H9N3O3S |
| Molecular Weight | 227.03647 g/mol |
| XLogP | 0.4 |
| Topological Polar Surface Area (TPSA) | 109.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 227.03647 Da |
| Heavy Atoms | 15 |
| Complexity | 282.0 |
| SMILES | CC1=NN=C(S1)NC(=O)C=CC(=O)OC |
| InChIKey | QVSUROLNVNDTCA-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 4-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-4-oxobut-2-enoate
Property Insights of Methyl 4-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-4-oxobut-2-enoate
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-4-oxobut-2-enoate. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-4-oxobut-2-enoate. Following Lipinski's Rule of Five, Methyl 4-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-4-oxobut-2-enoate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Methyl 4-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-4-oxobut-2-enoate?
The CAS number of Methyl 4-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-4-oxobut-2-enoate is 81542-43-0.
What is the molecular formula of Methyl 4-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-4-oxobut-2-enoate?
The molecular formula of Methyl 4-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-4-oxobut-2-enoate is C8H9N3O3S.
What is the molecular weight of Methyl 4-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-4-oxobut-2-enoate?
The molecular weight of Methyl 4-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-4-oxobut-2-enoate is 227.03647 g/mol.
Where can I buy Methyl 4-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-4-oxobut-2-enoate?
You can request a quote for Methyl 4-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-4-oxobut-2-enoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 4-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-4-oxobut-2-enoate?
Yes, CoreyChem provides custom synthesis services for Methyl 4-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-4-oxobut-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.